1-[1-(4-propylcycloheptyl)piperidin-3-yl]ethanamine

C17H34N2 — CID 65088932

IUPAC1-[1-(4-propylcycloheptyl)piperidin-3-yl]ethanamine
SMILESCCCC1CCCC(N2CCCC(C(C)N)C2)CC1
InChIInChI=1S/C17H34N2/c1-3-6-15-7-4-9-17(11-10-15)19-12-5-8-16(13-19)14(2)18/h14-17H,3-13,18H2,1-2H3
InChIKeyDBOOAAIPTCCSDE-UHFFFAOYSA-N
MW266.47 g/mol
LogP3.79
Rot. Bonds4

About 1-[1-(4-propylcycloheptyl)piperidin-3-yl]ethanamine

1-[1-(4-propylcycloheptyl)piperidin-3-yl]ethanamine (PubChem CID 65088932) has the molecular formula C17H34N2 and a molecular weight of 266.47 g/mol. Its IUPAC name is 1-[1-(4-propylcycloheptyl)piperidin-3-yl]ethanamine.

Molecular Properties

Compound Name1-[1-(4-propylcycloheptyl)piperidin-3-yl]ethanamine
PubChem CID65088932
Molecular FormulaC17H34N2
Molecular Weight266.47 g/mol
Exact Mass266.27
IUPAC Name1-[1-(4-propylcycloheptyl)piperidin-3-yl]ethanamine
SMILESCCCC1CCCC(N2CCCC(C(C)N)C2)CC1
InChIInChI=1S/C17H34N2/c1-3-6-15-7-4-9-17(11-10-15)19-12-5-8-16(13-19)14(2)18/h14-17H,3-13,18H2,1-2H3
InChIKeyDBOOAAIPTCCSDE-UHFFFAOYSA-N
XLogP3.79
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.47
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-propylcycloheptyl)piperidin-3-yl]ethanamine?
The IUPAC name of 1-[1-(4-propylcycloheptyl)piperidin-3-yl]ethanamine (CID 65088932) is 1-[1-(4-propylcycloheptyl)piperidin-3-yl]ethanamine.
What is the SMILES notation for 1-[1-(4-propylcycloheptyl)piperidin-3-yl]ethanamine?
The canonical SMILES for 1-[1-(4-propylcycloheptyl)piperidin-3-yl]ethanamine is CCCC1CCCC(N2CCCC(C(C)N)C2)CC1.
What is the InChIKey of 1-[1-(4-propylcycloheptyl)piperidin-3-yl]ethanamine?
The InChIKey is DBOOAAIPTCCSDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N2/c1-3-6-15-7-4-9-17(11-10-15)19-12-5-8-16(13-19)14(2)18/h14-17H,3-13,18H2,1-2H3.
What are the key properties of 1-[1-(4-propylcycloheptyl)piperidin-3-yl]ethanamine?
1-[1-(4-propylcycloheptyl)piperidin-3-yl]ethanamine has a molecular weight of 266.47 g/mol, XLogP of 3.79, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-propylcycloheptyl)piperidin-3-yl]ethanamine is sourced from PubChem (CID 65088932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).